2-[(1-ethylpyridin-1-ium-3-yl)methyl]isoindole-1,3-dione

Systemtic Name: 2-[(1-ethylpyridin-1-ium-3-yl)methyl]isoindole-1,3-dione Openeye Name: 2-[(1-ethylpyridin-1-ium-3-yl)methyl]isoindoline-1,3-dione CAS Name: 2-[(1-ethyl-3-pyridin-1-iumyl)methyl]isoindole-1,3-dione IUPAC Name: 2-[(1-ethylpyridin-1-ium-3-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(1-ethylpyridin-1-ium-3-yl)methyl]isoindoline-1,3-quinone Formula: C16H15N2O2+ MolecularWeight: 267.3025

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=CC(=C1)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC[N+]1=CC=CC(=C1)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H15N2O2/c1-2-17-9-5-6-12(10-17)11-18-15(19)13-7-3-4-8-14(13)16(18)20/h3-10H,2,11H2,1H3/q+1